3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C10H12N6O2S — CID 659943

IUPAC3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCSc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C10H12N6O2S/c1-16(2)8-11-9(13-10(12-8)19-3)18-7-5-4-6(17)14-15-7/h4-5H,1-3H3,(H,14,17)
InChIKeyXWCSVKAZIWCEGV-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.54
Rot. Bonds4

About 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 659943) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID659943
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCSc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C10H12N6O2S/c1-16(2)8-11-9(13-10(12-8)19-3)18-7-5-4-6(17)14-15-7/h4-5H,1-3H3,(H,14,17)
InChIKeyXWCSVKAZIWCEGV-UHFFFAOYSA-N
XLogP0.54
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 659943) is 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CSc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is XWCSVKAZIWCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-16(2)8-11-9(13-10(12-8)19-3)18-7-5-4-6(17)14-15-7/h4-5H,1-3H3,(H,14,17).
What are the key properties of 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 280.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 659943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).